3-(4-ethoxyphenyl)-4-(N-methylanilino)-1-pentylpyrrole-2,5-dione

C24H28N2O3 — CID 110546523

IUPAC3-(4-ethoxyphenyl)-4-(N-methylanilino)-1-pentylpyrrole-2,5-dione
SMILESCCCCCN1C(=O)C(c2ccc(OCC)cc2)=C(N(C)c2ccccc2)C1=O
InChIInChI=1S/C24H28N2O3/c1-4-6-10-17-26-23(27)21(18-13-15-20(16-14-18)29-5-2)22(24(26)28)25(3)19-11-8-7-9-12-19/h7-9,11-16H,4-6,10,17H2,1-3H3
InChIKeyHTRAEVCLVGKJFW-UHFFFAOYSA-N
MW392.50 g/mol
LogP4.49
Rot. Bonds9

About 3-(4-ethoxyphenyl)-4-(N-methylanilino)-1-pentylpyrrole-2,5-dione

3-(4-ethoxyphenyl)-4-(N-methylanilino)-1-pentylpyrrole-2,5-dione (PubChem CID 110546523) has the molecular formula C24H28N2O3 and a molecular weight of 392.50 g/mol. Its IUPAC name is 3-(4-ethoxyphenyl)-4-(N-methylanilino)-1-pentylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-(4-ethoxyphenyl)-4-(N-methylanilino)-1-pentylpyrrole-2,5-dione
PubChem CID110546523
Molecular FormulaC24H28N2O3
Molecular Weight392.50 g/mol
Exact Mass392.21
IUPAC Name3-(4-ethoxyphenyl)-4-(N-methylanilino)-1-pentylpyrrole-2,5-dione
SMILESCCCCCN1C(=O)C(c2ccc(OCC)cc2)=C(N(C)c2ccccc2)C1=O
InChIInChI=1S/C24H28N2O3/c1-4-6-10-17-26-23(27)21(18-13-15-20(16-14-18)29-5-2)22(24(26)28)25(3)19-11-8-7-9-12-19/h7-9,11-16H,4-6,10,17H2,1-3H3
InChIKeyHTRAEVCLVGKJFW-UHFFFAOYSA-N
XLogP4.49
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-(N-methylanilino)-1-octyl-4-phenylpyrrole-2,5-dione
CID 110560237
3-(4-chlorophenyl)-1-hexyl-4-(N-methylanilino)pyrrole-2,5-dione
CID 110570082
3-(3,4-dimethylphenyl)-4-(N-methylanilino)-1-pentylpyrrole-2,5-dione
CID 110548794
3-(4-ethoxyphenyl)-4-(N-methylanilino)-1-(2-morpholin-4-ylethyl)pyrrole-2,5-dione
CID 110547147
1-(3-butoxypropyl)-3-(N-methylanilino)-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
CID 110575615
1-butyl-3-(N-methylanilino)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110552896
1-ethyl-3-(N-methylanilino)-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110572451
3-[methyl-(1-methylpiperidin-4-yl)amino]-1-pentyl-4-(4-propoxyphenyl)pyrrole-2,5-dione
CID 110576612
3-[benzyl(ethyl)amino]-4-[4-(2-methylpropoxy)phenyl]-1-pentylpyrrole-2,5-dione
CID 110551154
1-[2-(4-methoxyphenyl)ethyl]-3-(N-methylanilino)-4-phenylpyrrole-2,5-dione
CID 110558864
3-(4-ethoxyphenyl)-4-[2-hydroxyethyl(methyl)amino]-1-propylpyrrole-2,5-dione
CID 110546593
3-(4-ethoxyphenyl)-4-(N-ethylanilino)-1-[2-(4-fluorophenyl)ethyl]pyrrole-2,5-dione
CID 110546190

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxyphenyl)-4-(N-methylanilino)-1-pentylpyrrole-2,5-dione?
The IUPAC name of 3-(4-ethoxyphenyl)-4-(N-methylanilino)-1-pentylpyrrole-2,5-dione (CID 110546523) is 3-(4-ethoxyphenyl)-4-(N-methylanilino)-1-pentylpyrrole-2,5-dione.
What is the SMILES notation for 3-(4-ethoxyphenyl)-4-(N-methylanilino)-1-pentylpyrrole-2,5-dione?
The canonical SMILES for 3-(4-ethoxyphenyl)-4-(N-methylanilino)-1-pentylpyrrole-2,5-dione is CCCCCN1C(=O)C(c2ccc(OCC)cc2)=C(N(C)c2ccccc2)C1=O.
What is the InChIKey of 3-(4-ethoxyphenyl)-4-(N-methylanilino)-1-pentylpyrrole-2,5-dione?
The InChIKey is HTRAEVCLVGKJFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O3/c1-4-6-10-17-26-23(27)21(18-13-15-20(16-14-18)29-5-2)22(24(26)28)25(3)19-11-8-7-9-12-19/h7-9,11-16H,4-6,10,17H2,1-3H3.
What are the key properties of 3-(4-ethoxyphenyl)-4-(N-methylanilino)-1-pentylpyrrole-2,5-dione?
3-(4-ethoxyphenyl)-4-(N-methylanilino)-1-pentylpyrrole-2,5-dione has a molecular weight of 392.50 g/mol, XLogP of 4.49, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxyphenyl)-4-(N-methylanilino)-1-pentylpyrrole-2,5-dione is sourced from PubChem (CID 110546523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).